[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate

C24H19FN4O5S — CID 2379848

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN4O5S/c25-17-8-6-16(7-9-17)23-21(14-29(28-23)19-4-2-1-3-5-19)24(31)34-15-22(30)27-18-10-12-20(13-11-18)35(26,32)33/h1-14H,15H2,(H,27,30)(H2,26,32,33)
InChIKeyMDOIWDGFTNOZGG-UHFFFAOYSA-N
MW494.50 g/mol
LogP3.12
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 2379848) has the molecular formula C24H19FN4O5S and a molecular weight of 494.50 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID2379848
Molecular FormulaC24H19FN4O5S
Molecular Weight494.50 g/mol
Exact Mass494.11
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H19FN4O5S/c25-17-8-6-16(7-9-17)23-21(14-29(28-23)19-4-2-1-3-5-19)24(31)34-15-22(30)27-18-10-12-20(13-11-18)35(26,32)33/h1-14H,15H2,(H,27,30)(H2,26,32,33)
InChIKeyMDOIWDGFTNOZGG-UHFFFAOYSA-N
XLogP3.12
TPSA133.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate (CID 2379848) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is MDOIWDGFTNOZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O5S/c25-17-8-6-16(7-9-17)23-21(14-29(28-23)19-4-2-1-3-5-19)24(31)34-15-22(30)27-18-10-12-20(13-11-18)35(26,32)33/h1-14H,15H2,(H,27,30)(H2,26,32,33).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 494.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 2379848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).